1-bromopropan-2-yl N,N-dimethylcarbamate

C6H12BrNO2 — CID 103970802

IUPAC1-bromopropan-2-yl N,N-dimethylcarbamate
SMILESCC(CBr)OC(=O)N(C)C
InChIInChI=1S/C6H12BrNO2/c1-5(4-7)10-6(9)8(2)3/h5H,4H2,1-3H3
InChIKeyJKGMWELLQHRELO-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.47
Rot. Bonds2

About 1-bromopropan-2-yl N,N-dimethylcarbamate

1-bromopropan-2-yl N,N-dimethylcarbamate (PubChem CID 103970802) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 1-bromopropan-2-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-bromopropan-2-yl N,N-dimethylcarbamate
PubChem CID103970802
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Name1-bromopropan-2-yl N,N-dimethylcarbamate
SMILESCC(CBr)OC(=O)N(C)C
InChIInChI=1S/C6H12BrNO2/c1-5(4-7)10-6(9)8(2)3/h5H,4H2,1-3H3
InChIKeyJKGMWELLQHRELO-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-yl N,N-dimethylcarbamate?
The IUPAC name of 1-bromopropan-2-yl N,N-dimethylcarbamate (CID 103970802) is 1-bromopropan-2-yl N,N-dimethylcarbamate.
What is the SMILES notation for 1-bromopropan-2-yl N,N-dimethylcarbamate?
The canonical SMILES for 1-bromopropan-2-yl N,N-dimethylcarbamate is CC(CBr)OC(=O)N(C)C.
What is the InChIKey of 1-bromopropan-2-yl N,N-dimethylcarbamate?
The InChIKey is JKGMWELLQHRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-5(4-7)10-6(9)8(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-bromopropan-2-yl N,N-dimethylcarbamate?
1-bromopropan-2-yl N,N-dimethylcarbamate has a molecular weight of 210.07 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-yl N,N-dimethylcarbamate is sourced from PubChem (CID 103970802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).